USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 CYS SG : rot -53:sc= 0.568 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.997 K(o=1.6,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.082 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.26 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.22 X(o=-0.22,f=-0.023) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.86 USER MOD Single : A 20 THR OG1 : rot -30:sc= 0.469 USER MOD Single : A 21 CYS SG : rot 100:sc= -2.33 USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= -0.257 (180deg=-1.76!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.544 F(o=-1.5,f=-0.54) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0.174 (180deg=0.171) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.102) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -110:sc= -1.94 USER MOD Single : A 43 GLN : amide:sc= 0.0523 K(o=0.052,f=-0.72) USER MOD Single : A 44 ASN : amide:sc= -3.15 K(o=-3.2,f=-11!) USER MOD Single : A 51 THR OG1 : rot -139:sc= -2.33! USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0.0166 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.29! C(o=-2.3!,f=-3.3!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -170:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.56) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 78:sc= -0.0738 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.294 15.947 -39.244 1.00 0.00 N ATOM 2 CA GLY A 1 6.263 14.631 -39.855 1.00 0.00 C ATOM 3 C GLY A 1 5.007 13.858 -39.502 1.00 0.00 C ATOM 4 O GLY A 1 4.081 14.404 -38.903 1.00 0.00 O ATOM 0 H1 GLY A 1 6.498 16.662 -39.971 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.372 16.149 -38.808 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.035 15.974 -38.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.330 14.735 -40.938 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.137 14.064 -39.535 1.00 0.00 H new ATOM 8 N SER A 2 4.975 12.583 -39.876 1.00 0.00 N ATOM 9 CA SER A 2 3.821 11.734 -39.601 1.00 0.00 C ATOM 10 C SER A 2 4.210 10.562 -38.705 1.00 0.00 C ATOM 11 O SER A 2 5.089 9.771 -39.047 1.00 0.00 O ATOM 12 CB SER A 2 3.220 11.215 -40.908 1.00 0.00 C ATOM 13 OG SER A 2 4.187 10.516 -41.672 1.00 0.00 O ATOM 0 H SER A 2 5.735 12.115 -40.370 1.00 0.00 H new ATOM 0 HA SER A 2 3.075 12.334 -39.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.380 10.556 -40.689 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.828 12.050 -41.488 1.00 0.00 H new ATOM 0 HG SER A 2 4.781 10.019 -41.072 1.00 0.00 H new ATOM 19 N SER A 3 3.548 10.457 -37.557 1.00 0.00 N ATOM 20 CA SER A 3 3.826 9.384 -36.610 1.00 0.00 C ATOM 21 C SER A 3 2.531 8.819 -36.034 1.00 0.00 C ATOM 22 O SER A 3 1.853 9.473 -35.243 1.00 0.00 O ATOM 23 CB SER A 3 4.721 9.893 -35.479 1.00 0.00 C ATOM 24 OG SER A 3 5.534 8.853 -34.963 1.00 0.00 O ATOM 0 H SER A 3 2.816 11.102 -37.261 1.00 0.00 H new ATOM 0 HA SER A 3 4.344 8.587 -37.143 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.351 10.703 -35.847 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.104 10.306 -34.681 1.00 0.00 H new ATOM 0 HG SER A 3 6.098 9.205 -34.243 1.00 0.00 H new ATOM 30 N GLY A 4 2.195 7.597 -36.438 1.00 0.00 N ATOM 31 CA GLY A 4 0.983 6.964 -35.953 1.00 0.00 C ATOM 32 C GLY A 4 1.208 6.186 -34.672 1.00 0.00 C ATOM 33 O GLY A 4 0.748 5.052 -34.537 1.00 0.00 O ATOM 0 H GLY A 4 2.740 7.035 -37.092 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.222 7.726 -35.783 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.596 6.292 -36.719 1.00 0.00 H new ATOM 37 N SER A 5 1.919 6.795 -33.728 1.00 0.00 N ATOM 38 CA SER A 5 2.210 6.150 -32.453 1.00 0.00 C ATOM 39 C SER A 5 1.526 6.885 -31.304 1.00 0.00 C ATOM 40 O SER A 5 1.672 8.098 -31.155 1.00 0.00 O ATOM 41 CB SER A 5 3.720 6.100 -32.215 1.00 0.00 C ATOM 42 OG SER A 5 4.290 4.940 -32.798 1.00 0.00 O ATOM 0 H SER A 5 2.304 7.735 -33.822 1.00 0.00 H new ATOM 0 HA SER A 5 1.822 5.132 -32.492 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.187 6.990 -32.636 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.923 6.110 -31.144 1.00 0.00 H new ATOM 0 HG SER A 5 5.256 4.932 -32.634 1.00 0.00 H new ATOM 48 N SER A 6 0.780 6.141 -30.495 1.00 0.00 N ATOM 49 CA SER A 6 0.070 6.722 -29.361 1.00 0.00 C ATOM 50 C SER A 6 0.983 6.824 -28.143 1.00 0.00 C ATOM 51 O SER A 6 2.090 6.286 -28.135 1.00 0.00 O ATOM 52 CB SER A 6 -1.162 5.882 -29.019 1.00 0.00 C ATOM 53 OG SER A 6 -2.091 5.880 -30.090 1.00 0.00 O ATOM 0 H SER A 6 0.651 5.135 -30.603 1.00 0.00 H new ATOM 0 HA SER A 6 -0.249 7.726 -29.640 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.858 4.859 -28.795 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.638 6.277 -28.121 1.00 0.00 H new ATOM 0 HG SER A 6 -2.869 5.335 -29.848 1.00 0.00 H new ATOM 59 N GLY A 7 0.511 7.520 -27.113 1.00 0.00 N ATOM 60 CA GLY A 7 1.296 7.681 -25.904 1.00 0.00 C ATOM 61 C GLY A 7 0.646 8.625 -24.912 1.00 0.00 C ATOM 62 O GLY A 7 -0.355 9.269 -25.222 1.00 0.00 O ATOM 0 H GLY A 7 -0.402 7.975 -27.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.438 6.708 -25.435 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.285 8.057 -26.164 1.00 0.00 H new ATOM 66 N ASN A 8 1.217 8.708 -23.714 1.00 0.00 N ATOM 67 CA ASN A 8 0.685 9.579 -22.672 1.00 0.00 C ATOM 68 C ASN A 8 1.498 10.866 -22.573 1.00 0.00 C ATOM 69 O ASN A 8 2.534 11.010 -23.221 1.00 0.00 O ATOM 70 CB ASN A 8 0.687 8.856 -21.324 1.00 0.00 C ATOM 71 CG ASN A 8 -0.515 7.947 -21.154 1.00 0.00 C ATOM 72 OD1 ASN A 8 -0.372 6.756 -20.875 1.00 0.00 O ATOM 73 ND2 ASN A 8 -1.708 8.506 -21.322 1.00 0.00 N ATOM 0 H ASN A 8 2.048 8.183 -23.441 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.341 9.837 -22.936 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.600 8.268 -21.232 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.699 9.592 -20.520 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.553 7.944 -21.220 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.779 9.497 -21.553 1.00 0.00 H new ATOM 80 N ASP A 9 1.020 11.799 -21.757 1.00 0.00 N ATOM 81 CA ASP A 9 1.702 13.075 -21.570 1.00 0.00 C ATOM 82 C ASP A 9 2.783 12.961 -20.500 1.00 0.00 C ATOM 83 O ASP A 9 3.603 13.863 -20.335 1.00 0.00 O ATOM 84 CB ASP A 9 0.698 14.163 -21.186 1.00 0.00 C ATOM 85 CG ASP A 9 -0.096 14.665 -22.375 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.914 13.890 -22.913 1.00 0.00 O ATOM 87 OD2 ASP A 9 0.101 15.834 -22.768 1.00 0.00 O ATOM 0 H ASP A 9 0.163 11.696 -21.214 1.00 0.00 H new ATOM 0 HA ASP A 9 2.177 13.347 -22.513 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.012 13.771 -20.434 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.229 14.998 -20.729 1.00 0.00 H new ATOM 92 N ALA A 10 2.777 11.847 -19.776 1.00 0.00 N ATOM 93 CA ALA A 10 3.758 11.615 -18.723 1.00 0.00 C ATOM 94 C ALA A 10 3.796 10.144 -18.323 1.00 0.00 C ATOM 95 O ALA A 10 2.996 9.339 -18.800 1.00 0.00 O ATOM 96 CB ALA A 10 3.449 12.485 -17.513 1.00 0.00 C ATOM 0 H ALA A 10 2.104 11.091 -19.899 1.00 0.00 H new ATOM 0 HA ALA A 10 4.741 11.885 -19.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.189 12.302 -16.734 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.480 13.535 -17.803 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.456 12.242 -17.134 1.00 0.00 H new ATOM 102 N VAL A 11 4.733 9.798 -17.445 1.00 0.00 N ATOM 103 CA VAL A 11 4.876 8.424 -16.980 1.00 0.00 C ATOM 104 C VAL A 11 3.542 7.865 -16.498 1.00 0.00 C ATOM 105 O VAL A 11 3.375 6.653 -16.368 1.00 0.00 O ATOM 106 CB VAL A 11 5.905 8.321 -15.840 1.00 0.00 C ATOM 107 CG1 VAL A 11 7.290 8.713 -16.333 1.00 0.00 C ATOM 108 CG2 VAL A 11 5.484 9.188 -14.663 1.00 0.00 C ATOM 0 H VAL A 11 5.404 10.451 -17.042 1.00 0.00 H new ATOM 0 HA VAL A 11 5.227 7.838 -17.829 1.00 0.00 H new ATOM 0 HB VAL A 11 5.946 7.285 -15.503 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.004 8.634 -15.513 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.591 8.046 -17.141 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.269 9.740 -16.698 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.223 9.103 -13.866 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.414 10.227 -14.984 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.513 8.855 -14.295 1.00 0.00 H new ATOM 118 N ASP A 12 2.594 8.758 -16.235 1.00 0.00 N ATOM 119 CA ASP A 12 1.272 8.355 -15.768 1.00 0.00 C ATOM 120 C ASP A 12 1.350 7.752 -14.369 1.00 0.00 C ATOM 121 O ASP A 12 0.573 6.863 -14.020 1.00 0.00 O ATOM 122 CB ASP A 12 0.651 7.347 -16.737 1.00 0.00 C ATOM 123 CG ASP A 12 -0.862 7.432 -16.770 1.00 0.00 C ATOM 124 OD1 ASP A 12 -1.388 8.535 -17.026 1.00 0.00 O ATOM 125 OD2 ASP A 12 -1.520 6.396 -16.539 1.00 0.00 O ATOM 0 H ASP A 12 2.716 9.765 -16.337 1.00 0.00 H new ATOM 0 HA ASP A 12 0.642 9.244 -15.726 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.044 7.521 -17.739 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.949 6.339 -16.449 1.00 0.00 H new ATOM 130 N PHE A 13 2.295 8.240 -13.572 1.00 0.00 N ATOM 131 CA PHE A 13 2.477 7.749 -12.211 1.00 0.00 C ATOM 132 C PHE A 13 2.069 8.808 -11.191 1.00 0.00 C ATOM 133 O PHE A 13 2.365 8.687 -10.003 1.00 0.00 O ATOM 134 CB PHE A 13 3.934 7.340 -11.984 1.00 0.00 C ATOM 135 CG PHE A 13 4.440 6.344 -12.988 1.00 0.00 C ATOM 136 CD1 PHE A 13 3.562 5.506 -13.657 1.00 0.00 C ATOM 137 CD2 PHE A 13 5.794 6.246 -13.264 1.00 0.00 C ATOM 138 CE1 PHE A 13 4.025 4.589 -14.580 1.00 0.00 C ATOM 139 CE2 PHE A 13 6.264 5.331 -14.187 1.00 0.00 C ATOM 140 CZ PHE A 13 5.378 4.502 -14.847 1.00 0.00 C ATOM 0 H PHE A 13 2.947 8.975 -13.845 1.00 0.00 H new ATOM 0 HA PHE A 13 1.837 6.877 -12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.562 8.230 -12.018 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.033 6.918 -10.984 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.503 5.571 -13.454 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.491 6.893 -12.752 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.330 3.940 -15.093 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.322 5.264 -14.392 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.742 3.787 -15.570 1.00 0.00 H new ATOM 150 N SER A 14 1.388 9.846 -11.665 1.00 0.00 N ATOM 151 CA SER A 14 0.943 10.929 -10.796 1.00 0.00 C ATOM 152 C SER A 14 -0.171 10.457 -9.867 1.00 0.00 C ATOM 153 O SER A 14 -0.048 10.489 -8.642 1.00 0.00 O ATOM 154 CB SER A 14 0.457 12.115 -11.632 1.00 0.00 C ATOM 155 OG SER A 14 1.498 13.055 -11.837 1.00 0.00 O ATOM 0 H SER A 14 1.132 9.960 -12.646 1.00 0.00 H new ATOM 0 HA SER A 14 1.790 11.245 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.089 11.759 -12.594 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.381 12.599 -11.130 1.00 0.00 H new ATOM 0 HG SER A 14 1.163 13.802 -12.375 1.00 0.00 H new ATOM 161 N PRO A 15 -1.287 10.009 -10.462 1.00 0.00 N ATOM 162 CA PRO A 15 -2.445 9.522 -9.707 1.00 0.00 C ATOM 163 C PRO A 15 -2.166 8.194 -9.011 1.00 0.00 C ATOM 164 O PRO A 15 -3.046 7.621 -8.367 1.00 0.00 O ATOM 165 CB PRO A 15 -3.520 9.346 -10.783 1.00 0.00 C ATOM 166 CG PRO A 15 -2.761 9.130 -12.046 1.00 0.00 C ATOM 167 CD PRO A 15 -1.503 9.944 -11.917 1.00 0.00 C ATOM 0 HA PRO A 15 -2.729 10.207 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.168 8.498 -10.560 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.160 10.226 -10.851 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.530 8.074 -12.187 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.344 9.447 -12.911 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.664 9.471 -12.427 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.621 10.937 -12.351 1.00 0.00 H new ATOM 175 N THR A 16 -0.935 7.709 -9.142 1.00 0.00 N ATOM 176 CA THR A 16 -0.541 6.449 -8.526 1.00 0.00 C ATOM 177 C THR A 16 0.735 6.613 -7.708 1.00 0.00 C ATOM 178 O THR A 16 1.591 7.435 -8.033 1.00 0.00 O ATOM 179 CB THR A 16 -0.321 5.351 -9.584 1.00 0.00 C ATOM 180 OG1 THR A 16 0.737 5.731 -10.472 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.593 5.103 -10.379 1.00 0.00 C ATOM 0 H THR A 16 -0.194 8.170 -9.670 1.00 0.00 H new ATOM 0 HA THR A 16 -1.356 6.150 -7.867 1.00 0.00 H new ATOM 0 HB THR A 16 -0.049 4.430 -9.069 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.872 5.027 -11.140 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.413 4.324 -11.120 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.388 4.785 -9.704 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.891 6.022 -10.884 1.00 0.00 H new ATOM 189 N LEU A 17 0.855 5.825 -6.644 1.00 0.00 N ATOM 190 CA LEU A 17 2.028 5.883 -5.779 1.00 0.00 C ATOM 191 C LEU A 17 2.453 4.484 -5.345 1.00 0.00 C ATOM 192 O LEU A 17 1.627 3.619 -5.054 1.00 0.00 O ATOM 193 CB LEU A 17 1.737 6.745 -4.548 1.00 0.00 C ATOM 194 CG LEU A 17 1.149 8.124 -4.849 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.632 8.773 -3.575 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.189 9.012 -5.517 1.00 0.00 C ATOM 0 H LEU A 17 0.155 5.139 -6.360 1.00 0.00 H new ATOM 0 HA LEU A 17 2.844 6.332 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.046 6.205 -3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.663 6.876 -3.988 1.00 0.00 H new ATOM 0 HG LEU A 17 0.311 7.999 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.217 9.754 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.144 8.146 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.452 8.885 -2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.754 9.990 -5.724 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.047 9.130 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.513 8.554 -6.451 1.00 0.00 H new ATOM 208 N PRO A 18 3.774 4.255 -5.300 1.00 0.00 N ATOM 209 CA PRO A 18 4.340 2.962 -4.903 1.00 0.00 C ATOM 210 C PRO A 18 4.141 2.674 -3.419 1.00 0.00 C ATOM 211 O PRO A 18 4.644 3.400 -2.562 1.00 0.00 O ATOM 212 CB PRO A 18 5.830 3.114 -5.222 1.00 0.00 C ATOM 213 CG PRO A 18 6.083 4.581 -5.161 1.00 0.00 C ATOM 214 CD PRO A 18 4.817 5.240 -5.633 1.00 0.00 C ATOM 0 HA PRO A 18 3.861 2.131 -5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.446 2.576 -4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.067 2.712 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.330 4.892 -4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.926 4.858 -5.794 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.647 6.191 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.847 5.447 -6.703 1.00 0.00 H new ATOM 222 N VAL A 19 3.404 1.608 -3.122 1.00 0.00 N ATOM 223 CA VAL A 19 3.139 1.222 -1.741 1.00 0.00 C ATOM 224 C VAL A 19 3.645 -0.188 -1.457 1.00 0.00 C ATOM 225 O VAL A 19 3.680 -1.038 -2.348 1.00 0.00 O ATOM 226 CB VAL A 19 1.635 1.291 -1.417 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.121 2.715 -1.565 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.855 0.338 -2.311 1.00 0.00 C ATOM 0 H VAL A 19 2.980 0.996 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 19 3.672 1.931 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 19 1.489 0.984 -0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.057 2.744 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.660 3.369 -0.880 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.277 3.054 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.206 0.399 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.006 0.613 -3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.206 -0.681 -2.150 1.00 0.00 H new ATOM 238 N THR A 20 4.037 -0.431 -0.210 1.00 0.00 N ATOM 239 CA THR A 20 4.541 -1.738 0.191 1.00 0.00 C ATOM 240 C THR A 20 4.093 -2.090 1.605 1.00 0.00 C ATOM 241 O THR A 20 4.190 -1.270 2.519 1.00 0.00 O ATOM 242 CB THR A 20 6.079 -1.791 0.124 1.00 0.00 C ATOM 243 OG1 THR A 20 6.640 -0.704 0.870 1.00 0.00 O ATOM 244 CG2 THR A 20 6.561 -1.725 -1.317 1.00 0.00 C ATOM 0 H THR A 20 4.015 0.261 0.539 1.00 0.00 H new ATOM 0 HA THR A 20 4.129 -2.464 -0.509 1.00 0.00 H new ATOM 0 HB THR A 20 6.407 -2.736 0.557 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.028 0.061 0.845 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.650 -1.764 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.157 -2.569 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.222 -0.794 -1.772 1.00 0.00 H new ATOM 252 N CYS A 21 3.603 -3.312 1.779 1.00 0.00 N ATOM 253 CA CYS A 21 3.140 -3.772 3.083 1.00 0.00 C ATOM 254 C CYS A 21 3.755 -5.123 3.433 1.00 0.00 C ATOM 255 O CYS A 21 3.419 -6.144 2.833 1.00 0.00 O ATOM 256 CB CYS A 21 1.614 -3.874 3.098 1.00 0.00 C ATOM 257 SG CYS A 21 0.920 -4.321 4.707 1.00 0.00 S ATOM 0 H CYS A 21 3.516 -4.002 1.033 1.00 0.00 H new ATOM 0 HA CYS A 21 3.456 -3.045 3.831 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.194 -2.918 2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.303 -4.615 2.362 1.00 0.00 H new ATOM 0 HG CYS A 21 0.484 -3.252 5.304 1.00 0.00 H new ATOM 263 N GLY A 22 4.660 -5.121 4.407 1.00 0.00 N ATOM 264 CA GLY A 22 5.309 -6.352 4.819 1.00 0.00 C ATOM 265 C GLY A 22 6.014 -7.047 3.672 1.00 0.00 C ATOM 266 O GLY A 22 7.075 -6.608 3.226 1.00 0.00 O ATOM 0 H GLY A 22 4.955 -4.289 4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.031 -6.133 5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.566 -7.025 5.246 1.00 0.00 H new ATOM 270 N LYS A 23 5.426 -8.138 3.192 1.00 0.00 N ATOM 271 CA LYS A 23 6.003 -8.897 2.089 1.00 0.00 C ATOM 272 C LYS A 23 5.184 -8.716 0.815 1.00 0.00 C ATOM 273 O LYS A 23 5.304 -9.498 -0.127 1.00 0.00 O ATOM 274 CB LYS A 23 6.082 -10.382 2.451 1.00 0.00 C ATOM 275 CG LYS A 23 4.737 -10.993 2.806 1.00 0.00 C ATOM 276 CD LYS A 23 4.899 -12.347 3.477 1.00 0.00 C ATOM 277 CE LYS A 23 4.990 -13.469 2.454 1.00 0.00 C ATOM 278 NZ LYS A 23 6.309 -13.484 1.763 1.00 0.00 N ATOM 0 H LYS A 23 4.549 -8.516 3.550 1.00 0.00 H new ATOM 0 HA LYS A 23 7.009 -8.519 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.511 -10.930 1.612 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.762 -10.506 3.294 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.194 -10.320 3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.137 -11.103 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.797 -12.343 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.055 -12.528 4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.829 -14.426 2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.195 -13.354 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.578 -14.466 1.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.243 -12.943 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.028 -13.054 2.379 1.00 0.00 H new ATOM 292 N ALA A 24 4.352 -7.680 0.795 1.00 0.00 N ATOM 293 CA ALA A 24 3.516 -7.394 -0.364 1.00 0.00 C ATOM 294 C ALA A 24 3.920 -6.079 -1.023 1.00 0.00 C ATOM 295 O ALA A 24 4.323 -5.133 -0.347 1.00 0.00 O ATOM 296 CB ALA A 24 2.050 -7.356 0.039 1.00 0.00 C ATOM 0 H ALA A 24 4.239 -7.025 1.569 1.00 0.00 H new ATOM 0 HA ALA A 24 3.661 -8.193 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.437 -7.141 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.762 -8.321 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.898 -6.578 0.787 1.00 0.00 H new ATOM 302 N LYS A 25 3.810 -6.027 -2.346 1.00 0.00 N ATOM 303 CA LYS A 25 4.163 -4.828 -3.096 1.00 0.00 C ATOM 304 C LYS A 25 3.109 -4.518 -4.154 1.00 0.00 C ATOM 305 O LYS A 25 2.712 -5.393 -4.923 1.00 0.00 O ATOM 306 CB LYS A 25 5.531 -5.002 -3.760 1.00 0.00 C ATOM 307 CG LYS A 25 6.611 -5.490 -2.810 1.00 0.00 C ATOM 308 CD LYS A 25 7.859 -5.925 -3.560 1.00 0.00 C ATOM 309 CE LYS A 25 7.742 -7.361 -4.049 1.00 0.00 C ATOM 310 NZ LYS A 25 9.029 -7.863 -4.604 1.00 0.00 N ATOM 0 H LYS A 25 3.479 -6.802 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 25 4.208 -3.993 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.438 -5.709 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.841 -4.049 -4.190 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.866 -4.696 -2.108 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.229 -6.325 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.024 -5.262 -4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.728 -5.831 -2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.427 -8.001 -3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.968 -7.423 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.909 -8.844 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.317 -7.268 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.762 -7.828 -3.867 1.00 0.00 H new ATOM 324 N GLY A 26 2.660 -3.267 -4.188 1.00 0.00 N ATOM 325 CA GLY A 26 1.657 -2.864 -5.156 1.00 0.00 C ATOM 326 C GLY A 26 1.717 -1.383 -5.472 1.00 0.00 C ATOM 327 O GLY A 26 2.782 -0.767 -5.399 1.00 0.00 O ATOM 0 H GLY A 26 2.973 -2.525 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.794 -3.434 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.667 -3.111 -4.772 1.00 0.00 H new ATOM 331 N THR A 27 0.572 -0.807 -5.824 1.00 0.00 N ATOM 332 CA THR A 27 0.499 0.610 -6.154 1.00 0.00 C ATOM 333 C THR A 27 -0.870 1.185 -5.808 1.00 0.00 C ATOM 334 O THR A 27 -1.901 0.640 -6.201 1.00 0.00 O ATOM 335 CB THR A 27 0.783 0.854 -7.649 1.00 0.00 C ATOM 336 OG1 THR A 27 2.064 0.318 -7.998 1.00 0.00 O ATOM 337 CG2 THR A 27 0.744 2.340 -7.971 1.00 0.00 C ATOM 0 H THR A 27 -0.318 -1.301 -5.888 1.00 0.00 H new ATOM 0 HA THR A 27 1.262 1.113 -5.560 1.00 0.00 H new ATOM 0 HB THR A 27 0.009 0.352 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.236 0.476 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.947 2.488 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.242 2.738 -7.731 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.499 2.860 -7.381 1.00 0.00 H new ATOM 345 N LEU A 28 -0.872 2.291 -5.072 1.00 0.00 N ATOM 346 CA LEU A 28 -2.116 2.942 -4.673 1.00 0.00 C ATOM 347 C LEU A 28 -2.557 3.959 -5.720 1.00 0.00 C ATOM 348 O LEU A 28 -1.750 4.741 -6.221 1.00 0.00 O ATOM 349 CB LEU A 28 -1.943 3.629 -3.317 1.00 0.00 C ATOM 350 CG LEU A 28 -3.114 4.512 -2.886 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.125 3.706 -2.084 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.616 5.700 -2.076 1.00 0.00 C ATOM 0 H LEU A 28 -0.027 2.756 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.888 2.177 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.785 2.864 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.040 4.239 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.608 4.888 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.951 4.352 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.506 2.888 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.643 3.300 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.463 6.318 -1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.097 5.342 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.931 6.292 -2.682 1.00 0.00 H new ATOM 364 N PHE A 29 -3.846 3.943 -6.046 1.00 0.00 N ATOM 365 CA PHE A 29 -4.396 4.863 -7.034 1.00 0.00 C ATOM 366 C PHE A 29 -5.309 5.890 -6.372 1.00 0.00 C ATOM 367 O PHE A 29 -6.451 5.589 -6.026 1.00 0.00 O ATOM 368 CB PHE A 29 -5.170 4.091 -8.105 1.00 0.00 C ATOM 369 CG PHE A 29 -4.307 3.178 -8.928 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.561 2.178 -8.324 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.243 3.318 -10.304 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.766 1.337 -9.079 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.449 2.480 -11.065 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.711 1.487 -10.451 1.00 0.00 C ATOM 0 H PHE A 29 -4.528 3.303 -5.640 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.566 5.391 -7.504 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.952 3.503 -7.624 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.667 4.801 -8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.602 2.055 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.820 4.091 -10.789 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.188 0.563 -8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.406 2.602 -12.137 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.092 0.829 -11.043 1.00 0.00 H new ATOM 384 N GLN A 30 -4.796 7.104 -6.198 1.00 0.00 N ATOM 385 CA GLN A 30 -5.564 8.176 -5.576 1.00 0.00 C ATOM 386 C GLN A 30 -6.928 8.325 -6.241 1.00 0.00 C ATOM 387 O GLN A 30 -7.897 8.739 -5.605 1.00 0.00 O ATOM 388 CB GLN A 30 -4.796 9.496 -5.658 1.00 0.00 C ATOM 389 CG GLN A 30 -3.286 9.325 -5.619 1.00 0.00 C ATOM 390 CD GLN A 30 -2.564 10.604 -5.243 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.247 10.751 -3.962 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.293 11.451 -6.094 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.852 7.369 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.718 7.918 -4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.071 10.010 -6.579 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.102 10.137 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.031 8.544 -4.903 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.937 8.989 -6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.555 11.298 -7.068 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.806 12.306 -5.825 1.00 0.00 H new ATOM 401 N GLU A 31 -6.996 7.985 -7.524 1.00 0.00 N ATOM 402 CA GLU A 31 -8.242 8.082 -8.275 1.00 0.00 C ATOM 403 C GLU A 31 -9.233 7.013 -7.825 1.00 0.00 C ATOM 404 O GLU A 31 -10.429 7.275 -7.696 1.00 0.00 O ATOM 405 CB GLU A 31 -7.971 7.944 -9.775 1.00 0.00 C ATOM 406 CG GLU A 31 -7.288 6.641 -10.153 1.00 0.00 C ATOM 407 CD GLU A 31 -7.054 6.515 -11.646 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.010 6.162 -12.367 1.00 0.00 O ATOM 409 OE2 GLU A 31 -5.917 6.770 -12.092 1.00 0.00 O ATOM 0 H GLU A 31 -6.203 7.640 -8.065 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.679 9.062 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.915 8.019 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.350 8.778 -10.102 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.333 6.572 -9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.898 5.804 -9.813 1.00 0.00 H new ATOM 416 N LYS A 32 -8.728 5.808 -7.589 1.00 0.00 N ATOM 417 CA LYS A 32 -9.566 4.698 -7.152 1.00 0.00 C ATOM 418 C LYS A 32 -9.674 4.662 -5.631 1.00 0.00 C ATOM 419 O LYS A 32 -10.455 3.893 -5.072 1.00 0.00 O ATOM 420 CB LYS A 32 -9.001 3.372 -7.666 1.00 0.00 C ATOM 421 CG LYS A 32 -9.365 3.074 -9.110 1.00 0.00 C ATOM 422 CD LYS A 32 -8.309 2.214 -9.785 1.00 0.00 C ATOM 423 CE LYS A 32 -8.523 2.149 -11.290 1.00 0.00 C ATOM 424 NZ LYS A 32 -7.974 3.348 -11.981 1.00 0.00 N ATOM 0 H LYS A 32 -7.741 5.574 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.564 4.845 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.915 3.388 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.365 2.562 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.328 2.564 -9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.479 4.009 -9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.319 2.619 -9.574 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.337 1.207 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.047 1.252 -11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.589 2.064 -11.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.094 3.242 -13.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.481 4.197 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.963 3.444 -11.759 1.00 0.00 H new ATOM 438 N LEU A 33 -8.885 5.500 -4.967 1.00 0.00 N ATOM 439 CA LEU A 33 -8.892 5.565 -3.510 1.00 0.00 C ATOM 440 C LEU A 33 -9.757 6.722 -3.022 1.00 0.00 C ATOM 441 O LEU A 33 -10.502 6.589 -2.050 1.00 0.00 O ATOM 442 CB LEU A 33 -7.465 5.719 -2.979 1.00 0.00 C ATOM 443 CG LEU A 33 -7.351 5.845 -1.460 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.794 4.558 -0.782 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.925 6.195 -1.061 1.00 0.00 C ATOM 0 H LEU A 33 -8.233 6.144 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.314 4.634 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.878 4.859 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.016 6.601 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.009 6.650 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.706 4.667 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.832 4.348 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.163 3.735 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.861 6.281 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.249 5.412 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.642 7.144 -1.517 1.00 0.00 H new ATOM 457 N LYS A 34 -9.654 7.859 -3.702 1.00 0.00 N ATOM 458 CA LYS A 34 -10.427 9.041 -3.339 1.00 0.00 C ATOM 459 C LYS A 34 -11.882 8.676 -3.063 1.00 0.00 C ATOM 460 O LYS A 34 -12.507 9.226 -2.157 1.00 0.00 O ATOM 461 CB LYS A 34 -10.355 10.084 -4.457 1.00 0.00 C ATOM 462 CG LYS A 34 -10.797 9.557 -5.811 1.00 0.00 C ATOM 463 CD LYS A 34 -11.259 10.681 -6.723 1.00 0.00 C ATOM 464 CE LYS A 34 -11.405 10.207 -8.161 1.00 0.00 C ATOM 465 NZ LYS A 34 -12.767 9.672 -8.433 1.00 0.00 N ATOM 0 H LYS A 34 -9.042 7.987 -4.508 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.998 9.461 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.978 10.937 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.331 10.450 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.972 9.022 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.607 8.840 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.213 11.070 -6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.544 11.503 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.198 11.035 -8.839 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.664 9.434 -8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.826 9.360 -9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.955 8.866 -7.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.473 10.416 -8.262 1.00 0.00 H new ATOM 479 N GLN A 35 -12.413 7.744 -3.848 1.00 0.00 N ATOM 480 CA GLN A 35 -13.794 7.306 -3.686 1.00 0.00 C ATOM 481 C GLN A 35 -14.006 6.670 -2.316 1.00 0.00 C ATOM 482 O GLN A 35 -15.030 6.889 -1.671 1.00 0.00 O ATOM 483 CB GLN A 35 -14.169 6.312 -4.787 1.00 0.00 C ATOM 484 CG GLN A 35 -14.097 6.900 -6.187 1.00 0.00 C ATOM 485 CD GLN A 35 -15.099 6.272 -7.136 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.704 6.957 -7.960 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.279 4.961 -7.024 1.00 0.00 N ATOM 0 H GLN A 35 -11.908 7.278 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.438 8.182 -3.763 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.504 5.450 -4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.180 5.947 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.275 7.974 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.091 6.762 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.756 4.432 -6.326 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.941 4.483 -7.636 1.00 0.00 H new ATOM 496 N GLY A 36 -13.031 5.879 -1.879 1.00 0.00 N ATOM 497 CA GLY A 36 -13.130 5.223 -0.588 1.00 0.00 C ATOM 498 C GLY A 36 -12.005 4.235 -0.352 1.00 0.00 C ATOM 499 O GLY A 36 -11.484 3.640 -1.295 1.00 0.00 O ATOM 0 H GLY A 36 -12.174 5.681 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.120 5.976 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.086 4.704 -0.520 1.00 0.00 H new ATOM 503 N ALA A 37 -11.629 4.060 0.910 1.00 0.00 N ATOM 504 CA ALA A 37 -10.559 3.137 1.267 1.00 0.00 C ATOM 505 C ALA A 37 -11.075 1.704 1.351 1.00 0.00 C ATOM 506 O ALA A 37 -10.431 0.836 1.941 1.00 0.00 O ATOM 507 CB ALA A 37 -9.924 3.550 2.587 1.00 0.00 C ATOM 0 H ALA A 37 -12.049 4.545 1.703 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.802 3.177 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.127 2.852 2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.511 4.554 2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.679 3.540 3.373 1.00 0.00 H new ATOM 513 N SER A 38 -12.240 1.464 0.759 1.00 0.00 N ATOM 514 CA SER A 38 -12.844 0.137 0.771 1.00 0.00 C ATOM 515 C SER A 38 -12.817 -0.486 -0.621 1.00 0.00 C ATOM 516 O SER A 38 -12.896 -1.705 -0.771 1.00 0.00 O ATOM 517 CB SER A 38 -14.286 0.215 1.279 1.00 0.00 C ATOM 518 OG SER A 38 -14.322 0.391 2.684 1.00 0.00 O ATOM 0 H SER A 38 -12.785 2.171 0.265 1.00 0.00 H new ATOM 0 HA SER A 38 -12.262 -0.494 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.802 1.042 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.820 -0.696 1.010 1.00 0.00 H new ATOM 0 HG SER A 38 -15.254 0.440 2.984 1.00 0.00 H new ATOM 524 N LYS A 39 -12.703 0.361 -1.639 1.00 0.00 N ATOM 525 CA LYS A 39 -12.664 -0.103 -3.021 1.00 0.00 C ATOM 526 C LYS A 39 -11.254 -0.538 -3.408 1.00 0.00 C ATOM 527 O LYS A 39 -10.267 0.017 -2.924 1.00 0.00 O ATOM 528 CB LYS A 39 -13.146 1.000 -3.965 1.00 0.00 C ATOM 529 CG LYS A 39 -14.616 1.344 -3.798 1.00 0.00 C ATOM 530 CD LYS A 39 -14.838 2.299 -2.638 1.00 0.00 C ATOM 531 CE LYS A 39 -16.275 2.794 -2.590 1.00 0.00 C ATOM 532 NZ LYS A 39 -16.515 3.690 -1.425 1.00 0.00 N ATOM 0 H LYS A 39 -12.636 1.373 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.328 -0.963 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.550 1.897 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.969 0.689 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.992 1.793 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.188 0.431 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.593 1.798 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.162 3.149 -2.731 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.506 3.327 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.951 1.941 -2.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.531 3.897 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.191 3.222 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.990 4.578 -1.556 1.00 0.00 H new ATOM 546 N LYS A 40 -11.166 -1.532 -4.285 1.00 0.00 N ATOM 547 CA LYS A 40 -9.878 -2.040 -4.740 1.00 0.00 C ATOM 548 C LYS A 40 -9.093 -0.955 -5.471 1.00 0.00 C ATOM 549 O LYS A 40 -9.391 -0.627 -6.620 1.00 0.00 O ATOM 550 CB LYS A 40 -10.078 -3.247 -5.660 1.00 0.00 C ATOM 551 CG LYS A 40 -11.033 -4.286 -5.100 1.00 0.00 C ATOM 552 CD LYS A 40 -10.294 -5.354 -4.310 1.00 0.00 C ATOM 553 CE LYS A 40 -11.172 -6.571 -4.062 1.00 0.00 C ATOM 554 NZ LYS A 40 -11.185 -7.493 -5.231 1.00 0.00 N ATOM 0 H LYS A 40 -11.973 -2.002 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.308 -2.349 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.454 -2.901 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.112 -3.716 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.766 -3.799 -4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.585 -4.752 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.398 -5.655 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.965 -4.941 -3.356 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.813 -7.105 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.189 -6.246 -3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.794 -8.310 -5.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.552 -6.991 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.218 -7.823 -5.424 1.00 0.00 H new ATOM 568 N CYS A 41 -8.089 -0.404 -4.799 1.00 0.00 N ATOM 569 CA CYS A 41 -7.260 0.644 -5.385 1.00 0.00 C ATOM 570 C CYS A 41 -5.808 0.191 -5.495 1.00 0.00 C ATOM 571 O CYS A 41 -5.063 0.666 -6.353 1.00 0.00 O ATOM 572 CB CYS A 41 -7.347 1.921 -4.548 1.00 0.00 C ATOM 573 SG CYS A 41 -6.863 1.703 -2.819 1.00 0.00 S ATOM 0 H CYS A 41 -7.829 -0.665 -3.848 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.634 0.850 -6.388 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.711 2.683 -4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.369 2.297 -4.584 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.912 1.806 -2.058 1.00 0.00 H new ATOM 579 N ILE A 42 -5.413 -0.728 -4.621 1.00 0.00 N ATOM 580 CA ILE A 42 -4.049 -1.244 -4.620 1.00 0.00 C ATOM 581 C ILE A 42 -3.899 -2.402 -5.600 1.00 0.00 C ATOM 582 O ILE A 42 -4.383 -3.506 -5.349 1.00 0.00 O ATOM 583 CB ILE A 42 -3.627 -1.716 -3.216 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.537 -0.525 -2.259 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.297 -2.452 -3.282 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.563 -0.920 -0.799 1.00 0.00 C ATOM 0 H ILE A 42 -6.017 -1.131 -3.905 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.401 -0.424 -4.929 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.382 -2.405 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.618 0.025 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.366 0.154 -2.458 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.012 -2.779 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.393 -3.320 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.531 -1.785 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.496 -0.026 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.493 -1.444 -0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.719 -1.575 -0.584 1.00 0.00 H new ATOM 598 N GLN A 43 -3.225 -2.143 -6.715 1.00 0.00 N ATOM 599 CA GLN A 43 -3.010 -3.165 -7.733 1.00 0.00 C ATOM 600 C GLN A 43 -1.650 -3.831 -7.557 1.00 0.00 C ATOM 601 O GLN A 43 -0.614 -3.170 -7.601 1.00 0.00 O ATOM 602 CB GLN A 43 -3.115 -2.553 -9.131 1.00 0.00 C ATOM 603 CG GLN A 43 -3.500 -3.555 -10.207 1.00 0.00 C ATOM 604 CD GLN A 43 -3.322 -3.005 -11.608 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.340 -2.322 -11.899 1.00 0.00 O ATOM 606 NE2 GLN A 43 -4.275 -3.299 -12.485 1.00 0.00 N ATOM 0 H GLN A 43 -2.818 -1.234 -6.937 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.783 -3.925 -7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.853 -1.751 -9.113 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.159 -2.101 -9.393 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.894 -4.454 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.539 -3.851 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.072 -3.869 -12.200 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.210 -2.955 -13.443 1.00 0.00 H new ATOM 615 N ASN A 44 -1.661 -5.145 -7.357 1.00 0.00 N ATOM 616 CA ASN A 44 -0.428 -5.901 -7.173 1.00 0.00 C ATOM 617 C ASN A 44 0.242 -6.184 -8.514 1.00 0.00 C ATOM 618 O ASN A 44 -0.281 -5.824 -9.568 1.00 0.00 O ATOM 619 CB ASN A 44 -0.715 -7.216 -6.445 1.00 0.00 C ATOM 620 CG ASN A 44 -1.163 -8.314 -7.391 1.00 0.00 C ATOM 621 OD1 ASN A 44 -0.467 -9.312 -7.575 1.00 0.00 O ATOM 622 ND2 ASN A 44 -2.331 -8.133 -7.996 1.00 0.00 N ATOM 0 H ASN A 44 -2.511 -5.708 -7.318 1.00 0.00 H new ATOM 0 HA ASN A 44 0.251 -5.300 -6.568 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.182 -7.539 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.486 -7.051 -5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.685 -8.837 -8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.875 -7.290 -7.813 1.00 0.00 H new ATOM 629 N GLU A 45 1.402 -6.832 -8.465 1.00 0.00 N ATOM 630 CA GLU A 45 2.142 -7.164 -9.677 1.00 0.00 C ATOM 631 C GLU A 45 1.277 -7.973 -10.639 1.00 0.00 C ATOM 632 O GLU A 45 1.423 -7.871 -11.857 1.00 0.00 O ATOM 633 CB GLU A 45 3.409 -7.949 -9.329 1.00 0.00 C ATOM 634 CG GLU A 45 4.351 -7.203 -8.399 1.00 0.00 C ATOM 635 CD GLU A 45 5.361 -6.356 -9.148 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.426 -6.893 -9.518 1.00 0.00 O ATOM 637 OE2 GLU A 45 5.087 -5.157 -9.364 1.00 0.00 O ATOM 0 H GLU A 45 1.849 -7.137 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 45 2.424 -6.232 -10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.125 -8.893 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.939 -8.194 -10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.769 -6.565 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.879 -7.920 -7.771 1.00 0.00 H new ATOM 644 N ALA A 46 0.377 -8.777 -10.083 1.00 0.00 N ATOM 645 CA ALA A 46 -0.512 -9.603 -10.890 1.00 0.00 C ATOM 646 C ALA A 46 -1.625 -8.766 -11.512 1.00 0.00 C ATOM 647 O ALA A 46 -2.472 -9.283 -12.239 1.00 0.00 O ATOM 648 CB ALA A 46 -1.101 -10.725 -10.047 1.00 0.00 C ATOM 0 H ALA A 46 0.244 -8.874 -9.076 1.00 0.00 H new ATOM 0 HA ALA A 46 0.074 -10.040 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.763 -11.334 -10.663 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.296 -11.347 -9.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.666 -10.299 -9.218 1.00 0.00 H new ATOM 654 N GLY A 47 -1.616 -7.468 -11.221 1.00 0.00 N ATOM 655 CA GLY A 47 -2.631 -6.581 -11.759 1.00 0.00 C ATOM 656 C GLY A 47 -3.934 -6.655 -10.989 1.00 0.00 C ATOM 657 O GLY A 47 -4.774 -5.761 -11.089 1.00 0.00 O ATOM 0 H GLY A 47 -0.925 -7.016 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.260 -5.556 -11.741 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.815 -6.835 -12.803 1.00 0.00 H new ATOM 661 N ASP A 48 -4.105 -7.725 -10.220 1.00 0.00 N ATOM 662 CA ASP A 48 -5.316 -7.914 -9.430 1.00 0.00 C ATOM 663 C ASP A 48 -5.433 -6.842 -8.351 1.00 0.00 C ATOM 664 O ASP A 48 -4.643 -6.807 -7.408 1.00 0.00 O ATOM 665 CB ASP A 48 -5.321 -9.302 -8.789 1.00 0.00 C ATOM 666 CG ASP A 48 -5.263 -10.415 -9.818 1.00 0.00 C ATOM 667 OD1 ASP A 48 -4.461 -10.302 -10.769 1.00 0.00 O ATOM 668 OD2 ASP A 48 -6.018 -11.398 -9.671 1.00 0.00 O ATOM 0 H ASP A 48 -3.420 -8.475 -10.127 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.173 -7.828 -10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.470 -9.390 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.221 -9.417 -8.184 1.00 0.00 H new ATOM 673 N TRP A 49 -6.423 -5.968 -8.497 1.00 0.00 N ATOM 674 CA TRP A 49 -6.643 -4.894 -7.535 1.00 0.00 C ATOM 675 C TRP A 49 -7.020 -5.456 -6.169 1.00 0.00 C ATOM 676 O TRP A 49 -7.654 -6.506 -6.073 1.00 0.00 O ATOM 677 CB TRP A 49 -7.740 -3.952 -8.034 1.00 0.00 C ATOM 678 CG TRP A 49 -7.409 -3.294 -9.339 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.552 -3.831 -10.587 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.879 -1.977 -9.525 1.00 0.00 C ATOM 681 NE1 TRP A 49 -7.143 -2.927 -11.537 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.726 -1.781 -10.912 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.520 -0.944 -8.656 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -6.229 -0.595 -11.445 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -6.027 0.233 -9.187 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.886 0.400 -10.571 1.00 0.00 C ATOM 0 H TRP A 49 -7.086 -5.982 -9.272 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.713 -4.335 -7.432 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.668 -4.513 -8.143 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.918 -3.183 -7.282 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.931 -4.821 -10.796 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.149 -3.084 -12.545 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.626 -1.063 -7.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.118 -0.465 -12.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.746 1.038 -8.524 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.499 1.332 -10.955 1.00 0.00 H new ATOM 697 N LEU A 50 -6.627 -4.749 -5.115 1.00 0.00 N ATOM 698 CA LEU A 50 -6.925 -5.178 -3.753 1.00 0.00 C ATOM 699 C LEU A 50 -7.325 -3.990 -2.884 1.00 0.00 C ATOM 700 O LEU A 50 -6.806 -2.885 -3.045 1.00 0.00 O ATOM 701 CB LEU A 50 -5.713 -5.886 -3.143 1.00 0.00 C ATOM 702 CG LEU A 50 -5.171 -7.060 -3.959 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.704 -7.299 -3.641 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.988 -8.316 -3.692 1.00 0.00 C ATOM 0 H LEU A 50 -6.102 -3.877 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.763 -5.874 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.914 -5.156 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.984 -6.247 -2.151 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.256 -6.813 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.336 -8.138 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.129 -6.405 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.594 -7.525 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.589 -9.142 -4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.934 -8.567 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.027 -8.140 -3.971 1.00 0.00 H new ATOM 716 N THR A 51 -8.253 -4.225 -1.961 1.00 0.00 N ATOM 717 CA THR A 51 -8.724 -3.176 -1.066 1.00 0.00 C ATOM 718 C THR A 51 -7.686 -2.856 0.003 1.00 0.00 C ATOM 719 O THR A 51 -6.900 -3.718 0.396 1.00 0.00 O ATOM 720 CB THR A 51 -10.045 -3.574 -0.380 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.826 -4.686 0.495 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.103 -3.935 -1.412 1.00 0.00 C ATOM 0 H THR A 51 -8.693 -5.133 -1.814 1.00 0.00 H new ATOM 0 HA THR A 51 -8.893 -2.291 -1.679 1.00 0.00 H new ATOM 0 HB THR A 51 -10.400 -2.721 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.569 -5.319 0.411 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.027 -4.213 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.288 -3.077 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.753 -4.774 -2.013 1.00 0.00 H new ATOM 730 N VAL A 52 -7.688 -1.612 0.470 1.00 0.00 N ATOM 731 CA VAL A 52 -6.747 -1.179 1.496 1.00 0.00 C ATOM 732 C VAL A 52 -6.503 -2.282 2.520 1.00 0.00 C ATOM 733 O VAL A 52 -5.439 -2.350 3.135 1.00 0.00 O ATOM 734 CB VAL A 52 -7.251 0.081 2.225 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.271 0.498 3.311 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.477 1.214 1.235 1.00 0.00 C ATOM 0 H VAL A 52 -8.331 -0.886 0.154 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.811 -0.946 0.988 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.204 -0.152 2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.644 1.390 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.165 -0.310 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.301 0.714 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.833 2.096 1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.540 1.448 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.220 0.910 0.498 1.00 0.00 H new ATOM 746 N LYS A 53 -7.497 -3.146 2.697 1.00 0.00 N ATOM 747 CA LYS A 53 -7.393 -4.249 3.645 1.00 0.00 C ATOM 748 C LYS A 53 -6.654 -5.430 3.026 1.00 0.00 C ATOM 749 O LYS A 53 -5.606 -5.847 3.520 1.00 0.00 O ATOM 750 CB LYS A 53 -8.785 -4.688 4.104 1.00 0.00 C ATOM 751 CG LYS A 53 -9.390 -3.783 5.164 1.00 0.00 C ATOM 752 CD LYS A 53 -9.962 -2.515 4.553 1.00 0.00 C ATOM 753 CE LYS A 53 -10.259 -1.469 5.617 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.914 -0.262 5.040 1.00 0.00 N ATOM 0 H LYS A 53 -8.384 -3.103 2.196 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.826 -3.901 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.450 -4.718 3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.726 -5.703 4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.176 -4.319 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.629 -3.523 5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.256 -2.108 3.828 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.876 -2.752 4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.904 -1.902 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.331 -1.178 6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.669 0.572 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.585 -0.122 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.946 -0.392 5.042 1.00 0.00 H new ATOM 768 N GLU A 54 -7.206 -5.965 1.941 1.00 0.00 N ATOM 769 CA GLU A 54 -6.597 -7.099 1.255 1.00 0.00 C ATOM 770 C GLU A 54 -5.082 -6.938 1.177 1.00 0.00 C ATOM 771 O GLU A 54 -4.331 -7.780 1.672 1.00 0.00 O ATOM 772 CB GLU A 54 -7.179 -7.242 -0.154 1.00 0.00 C ATOM 773 CG GLU A 54 -8.426 -8.108 -0.212 1.00 0.00 C ATOM 774 CD GLU A 54 -9.700 -7.309 -0.020 1.00 0.00 C ATOM 775 OE1 GLU A 54 -10.056 -7.030 1.144 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.341 -6.962 -1.034 1.00 0.00 O ATOM 0 H GLU A 54 -8.073 -5.632 1.519 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.820 -8.000 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.416 -6.252 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.420 -7.668 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.464 -8.620 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.365 -8.878 0.557 1.00 0.00 H new ATOM 783 N PHE A 55 -4.639 -5.852 0.553 1.00 0.00 N ATOM 784 CA PHE A 55 -3.213 -5.581 0.409 1.00 0.00 C ATOM 785 C PHE A 55 -2.455 -5.967 1.676 1.00 0.00 C ATOM 786 O PHE A 55 -1.431 -6.646 1.617 1.00 0.00 O ATOM 787 CB PHE A 55 -2.983 -4.101 0.094 1.00 0.00 C ATOM 788 CG PHE A 55 -1.558 -3.777 -0.252 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.878 -4.514 -1.209 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.898 -2.735 0.379 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.433 -4.218 -1.530 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.413 -2.434 0.062 1.00 0.00 C ATOM 793 CZ PHE A 55 1.080 -3.177 -0.893 1.00 0.00 C ATOM 0 H PHE A 55 -5.247 -5.145 0.139 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.835 -6.184 -0.417 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.626 -3.810 -0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.285 -3.503 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.379 -5.329 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.414 -2.151 1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.951 -4.800 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.916 -1.618 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.105 -2.944 -1.141 1.00 0.00 H new ATOM 803 N LEU A 56 -2.967 -5.528 2.821 1.00 0.00 N ATOM 804 CA LEU A 56 -2.339 -5.826 4.103 1.00 0.00 C ATOM 805 C LEU A 56 -2.314 -7.329 4.360 1.00 0.00 C ATOM 806 O LEU A 56 -1.259 -7.908 4.618 1.00 0.00 O ATOM 807 CB LEU A 56 -3.083 -5.115 5.236 1.00 0.00 C ATOM 808 CG LEU A 56 -3.414 -3.646 4.971 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.470 -3.152 5.947 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.159 -2.793 5.064 1.00 0.00 C ATOM 0 H LEU A 56 -3.815 -4.965 2.887 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.311 -5.464 4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.011 -5.651 5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.480 -5.178 6.142 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.814 -3.560 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.693 -2.105 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.377 -3.745 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.098 -3.252 6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.413 -1.750 4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.730 -2.885 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.433 -3.131 4.324 1.00 0.00 H new ATOM 822 N ASN A 57 -3.484 -7.956 4.287 1.00 0.00 N ATOM 823 CA ASN A 57 -3.597 -9.392 4.513 1.00 0.00 C ATOM 824 C ASN A 57 -2.527 -10.151 3.734 1.00 0.00 C ATOM 825 O ASN A 57 -1.926 -11.095 4.245 1.00 0.00 O ATOM 826 CB ASN A 57 -4.987 -9.885 4.106 1.00 0.00 C ATOM 827 CG ASN A 57 -5.356 -11.194 4.778 1.00 0.00 C ATOM 828 OD1 ASN A 57 -4.519 -11.838 5.410 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.616 -11.593 4.645 1.00 0.00 N ATOM 0 H ASN A 57 -4.367 -7.492 4.073 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.449 -9.581 5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.728 -9.127 4.362 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.022 -10.013 3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.923 -12.465 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.277 -11.027 4.112 1.00 0.00 H new ATOM 836 N GLU A 58 -2.295 -9.730 2.494 1.00 0.00 N ATOM 837 CA GLU A 58 -1.298 -10.371 1.645 1.00 0.00 C ATOM 838 C GLU A 58 0.077 -10.346 2.306 1.00 0.00 C ATOM 839 O GLU A 58 0.886 -11.252 2.115 1.00 0.00 O ATOM 840 CB GLU A 58 -1.234 -9.677 0.283 1.00 0.00 C ATOM 841 CG GLU A 58 -2.142 -10.302 -0.763 1.00 0.00 C ATOM 842 CD GLU A 58 -1.898 -11.789 -0.933 1.00 0.00 C ATOM 843 OE1 GLU A 58 -2.490 -12.579 -0.168 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.115 -12.162 -1.831 1.00 0.00 O ATOM 0 H GLU A 58 -2.783 -8.949 2.056 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.594 -11.410 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.504 -8.628 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.206 -9.701 -0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.182 -10.138 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.988 -9.801 -1.719 1.00 0.00 H new ATOM 851 N GLY A 59 0.333 -9.299 3.085 1.00 0.00 N ATOM 852 CA GLY A 59 1.611 -9.174 3.762 1.00 0.00 C ATOM 853 C GLY A 59 1.665 -9.972 5.050 1.00 0.00 C ATOM 854 O GLY A 59 2.722 -10.469 5.436 1.00 0.00 O ATOM 0 H GLY A 59 -0.321 -8.536 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.406 -9.510 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.802 -8.123 3.981 1.00 0.00 H new ATOM 858 N GLY A 60 0.521 -10.094 5.718 1.00 0.00 N ATOM 859 CA GLY A 60 0.465 -10.837 6.963 1.00 0.00 C ATOM 860 C GLY A 60 -0.289 -10.094 8.048 1.00 0.00 C ATOM 861 O GLY A 60 -0.309 -10.521 9.202 1.00 0.00 O ATOM 0 H GLY A 60 -0.367 -9.691 5.419 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.014 -11.800 6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.479 -11.043 7.305 1.00 0.00 H new ATOM 865 N ARG A 61 -0.911 -8.979 7.677 1.00 0.00 N ATOM 866 CA ARG A 61 -1.668 -8.174 8.627 1.00 0.00 C ATOM 867 C ARG A 61 -3.037 -7.809 8.062 1.00 0.00 C ATOM 868 O ARG A 61 -3.157 -6.909 7.232 1.00 0.00 O ATOM 869 CB ARG A 61 -0.894 -6.902 8.980 1.00 0.00 C ATOM 870 CG ARG A 61 0.094 -7.087 10.120 1.00 0.00 C ATOM 871 CD ARG A 61 0.958 -5.850 10.314 1.00 0.00 C ATOM 872 NE ARG A 61 2.139 -6.130 11.127 1.00 0.00 N ATOM 873 CZ ARG A 61 2.823 -5.194 11.775 1.00 0.00 C ATOM 874 NH1 ARG A 61 2.446 -3.924 11.706 1.00 0.00 N ATOM 875 NH2 ARG A 61 3.887 -5.526 12.494 1.00 0.00 N ATOM 0 H ARG A 61 -0.905 -8.613 6.725 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.814 -8.766 9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.356 -6.557 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.603 -6.118 9.248 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.448 -7.302 11.041 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.730 -7.948 9.916 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.269 -5.469 9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.368 -5.066 10.789 1.00 0.00 H new ATOM 0 HE ARG A 61 2.455 -7.097 11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.629 -3.664 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.974 -3.208 12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.181 -6.501 12.550 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.411 -4.806 12.991 1.00 0.00 H new ATOM 889 N ALA A 62 -4.067 -8.516 8.517 1.00 0.00 N ATOM 890 CA ALA A 62 -5.427 -8.266 8.057 1.00 0.00 C ATOM 891 C ALA A 62 -6.255 -7.581 9.140 1.00 0.00 C ATOM 892 O ALA A 62 -7.112 -6.747 8.847 1.00 0.00 O ATOM 893 CB ALA A 62 -6.088 -9.568 7.629 1.00 0.00 C ATOM 0 H ALA A 62 -3.985 -9.266 9.203 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.376 -7.598 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.103 -9.366 7.288 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.515 -10.017 6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.120 -10.255 8.475 1.00 0.00 H new ATOM 899 N THR A 63 -5.994 -7.940 10.393 1.00 0.00 N ATOM 900 CA THR A 63 -6.716 -7.362 11.520 1.00 0.00 C ATOM 901 C THR A 63 -6.324 -5.904 11.735 1.00 0.00 C ATOM 902 O THR A 63 -7.156 -5.075 12.102 1.00 0.00 O ATOM 903 CB THR A 63 -6.455 -8.148 12.818 1.00 0.00 C ATOM 904 OG1 THR A 63 -5.046 -8.245 13.057 1.00 0.00 O ATOM 905 CG2 THR A 63 -7.058 -9.543 12.736 1.00 0.00 C ATOM 0 H THR A 63 -5.288 -8.628 10.653 1.00 0.00 H new ATOM 0 HA THR A 63 -7.777 -7.419 11.277 1.00 0.00 H new ATOM 0 HB THR A 63 -6.927 -7.613 13.642 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.888 -8.745 13.885 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.861 -10.080 13.664 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.134 -9.466 12.583 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.611 -10.084 11.902 1.00 0.00 H new ATOM 913 N SER A 64 -5.052 -5.598 11.502 1.00 0.00 N ATOM 914 CA SER A 64 -4.548 -4.240 11.673 1.00 0.00 C ATOM 915 C SER A 64 -5.408 -3.241 10.904 1.00 0.00 C ATOM 916 O SER A 64 -5.453 -3.261 9.674 1.00 0.00 O ATOM 917 CB SER A 64 -3.096 -4.149 11.203 1.00 0.00 C ATOM 918 OG SER A 64 -2.201 -4.534 12.232 1.00 0.00 O ATOM 0 H SER A 64 -4.351 -6.272 11.194 1.00 0.00 H new ATOM 0 HA SER A 64 -4.594 -3.992 12.733 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.952 -4.789 10.333 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.876 -3.129 10.888 1.00 0.00 H new ATOM 0 HG SER A 64 -1.283 -4.319 11.965 1.00 0.00 H new ATOM 924 N LYS A 65 -6.089 -2.368 11.638 1.00 0.00 N ATOM 925 CA LYS A 65 -6.946 -1.359 11.028 1.00 0.00 C ATOM 926 C LYS A 65 -6.115 -0.293 10.321 1.00 0.00 C ATOM 927 O LYS A 65 -6.242 -0.094 9.112 1.00 0.00 O ATOM 928 CB LYS A 65 -7.835 -0.706 12.089 1.00 0.00 C ATOM 929 CG LYS A 65 -9.052 -0.002 11.514 1.00 0.00 C ATOM 930 CD LYS A 65 -10.057 0.350 12.597 1.00 0.00 C ATOM 931 CE LYS A 65 -10.887 -0.858 13.002 1.00 0.00 C ATOM 932 NZ LYS A 65 -12.091 -1.018 12.140 1.00 0.00 N ATOM 0 H LYS A 65 -6.064 -2.339 12.657 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.576 -1.853 10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.166 -1.469 12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.243 0.014 12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.738 0.906 10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.526 -0.643 10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.532 0.741 13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.715 1.142 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.274 -1.757 12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.196 -0.754 14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.630 -1.852 12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.689 -0.171 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.796 -1.143 11.151 1.00 0.00 H new ATOM 946 N ASP A 66 -5.264 0.387 11.081 1.00 0.00 N ATOM 947 CA ASP A 66 -4.410 1.431 10.526 1.00 0.00 C ATOM 948 C ASP A 66 -3.621 0.908 9.330 1.00 0.00 C ATOM 949 O ASP A 66 -2.684 0.126 9.486 1.00 0.00 O ATOM 950 CB ASP A 66 -3.451 1.957 11.595 1.00 0.00 C ATOM 951 CG ASP A 66 -4.133 2.165 12.933 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.296 2.620 12.942 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.504 1.872 13.971 1.00 0.00 O ATOM 0 H ASP A 66 -5.147 0.234 12.083 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.048 2.248 10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.626 1.255 11.716 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.020 2.900 11.260 1.00 0.00 H new ATOM 958 N TRP A 67 -4.007 1.345 8.136 1.00 0.00 N ATOM 959 CA TRP A 67 -3.336 0.920 6.913 1.00 0.00 C ATOM 960 C TRP A 67 -2.229 1.897 6.532 1.00 0.00 C ATOM 961 O TRP A 67 -1.230 1.513 5.923 1.00 0.00 O ATOM 962 CB TRP A 67 -4.344 0.801 5.769 1.00 0.00 C ATOM 963 CG TRP A 67 -5.134 2.054 5.541 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.245 2.459 6.224 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.874 3.064 4.560 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.691 3.660 5.728 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.867 4.053 4.706 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.899 3.231 3.573 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.911 5.188 3.902 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.944 4.358 2.775 1.00 0.00 C ATOM 971 CH2 TRP A 67 -4.944 5.326 2.944 1.00 0.00 C ATOM 0 H TRP A 67 -4.781 1.993 7.989 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.887 -0.056 7.095 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.814 0.542 4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.030 -0.019 5.982 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.706 1.915 7.035 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.504 4.176 6.066 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.124 2.492 3.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.682 5.934 4.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.196 4.496 2.008 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.951 6.197 2.306 1.00 0.00 H new ATOM 982 N LYS A 68 -2.411 3.162 6.894 1.00 0.00 N ATOM 983 CA LYS A 68 -1.427 4.195 6.592 1.00 0.00 C ATOM 984 C LYS A 68 -0.133 3.955 7.362 1.00 0.00 C ATOM 985 O LYS A 68 0.944 4.359 6.926 1.00 0.00 O ATOM 986 CB LYS A 68 -1.988 5.578 6.933 1.00 0.00 C ATOM 987 CG LYS A 68 -3.114 6.021 6.015 1.00 0.00 C ATOM 988 CD LYS A 68 -3.671 7.372 6.429 1.00 0.00 C ATOM 989 CE LYS A 68 -4.866 7.768 5.575 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.633 8.892 6.180 1.00 0.00 N ATOM 0 H LYS A 68 -3.232 3.497 7.398 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.207 4.152 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.350 5.570 7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.182 6.310 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.749 6.076 4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.911 5.278 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.967 7.339 7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.893 8.130 6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.523 8.056 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.523 6.907 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.439 9.132 5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.983 8.609 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.014 9.722 6.278 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.246 3.294 8.510 1.00 0.00 N ATOM 1005 CA GLY A 69 0.923 3.011 9.322 1.00 0.00 C ATOM 1006 C GLY A 69 1.663 1.771 8.861 1.00 0.00 C ATOM 1007 O GLY A 69 2.890 1.770 8.767 1.00 0.00 O ATOM 0 H GLY A 69 -1.127 2.949 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.599 3.866 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.618 2.883 10.361 1.00 0.00 H new ATOM 1011 N VAL A 70 0.915 0.710 8.573 1.00 0.00 N ATOM 1012 CA VAL A 70 1.507 -0.543 8.119 1.00 0.00 C ATOM 1013 C VAL A 70 2.119 -0.390 6.731 1.00 0.00 C ATOM 1014 O VAL A 70 3.196 -0.918 6.455 1.00 0.00 O ATOM 1015 CB VAL A 70 0.466 -1.677 8.088 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.064 -1.955 9.487 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.671 -1.330 7.138 1.00 0.00 C ATOM 0 H VAL A 70 -0.102 0.693 8.646 1.00 0.00 H new ATOM 0 HA VAL A 70 2.291 -0.800 8.832 1.00 0.00 H new ATOM 0 HB VAL A 70 0.951 -2.582 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.798 -2.759 9.445 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.760 -2.250 10.136 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.534 -1.055 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.398 -2.142 7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.156 -0.413 7.471 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.274 -1.186 6.133 1.00 0.00 H new ATOM 1027 N ILE A 71 1.424 0.334 5.861 1.00 0.00 N ATOM 1028 CA ILE A 71 1.899 0.557 4.501 1.00 0.00 C ATOM 1029 C ILE A 71 2.967 1.646 4.464 1.00 0.00 C ATOM 1030 O ILE A 71 2.817 2.698 5.085 1.00 0.00 O ATOM 1031 CB ILE A 71 0.747 0.952 3.559 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.368 -0.095 3.614 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.258 1.115 2.135 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.591 0.281 2.808 1.00 0.00 C ATOM 0 H ILE A 71 0.530 0.776 6.073 1.00 0.00 H new ATOM 0 HA ILE A 71 2.330 -0.384 4.159 1.00 0.00 H new ATOM 0 HB ILE A 71 0.339 1.907 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.020 -1.046 3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.661 -0.248 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.431 1.394 1.482 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.020 1.894 2.109 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.689 0.174 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.339 -0.507 2.893 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.004 1.216 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.313 0.405 1.761 1.00 0.00 H new ATOM 1046 N ARG A 72 4.044 1.386 3.730 1.00 0.00 N ATOM 1047 CA ARG A 72 5.137 2.343 3.611 1.00 0.00 C ATOM 1048 C ARG A 72 5.382 2.709 2.150 1.00 0.00 C ATOM 1049 O ARG A 72 5.403 1.840 1.277 1.00 0.00 O ATOM 1050 CB ARG A 72 6.415 1.770 4.225 1.00 0.00 C ATOM 1051 CG ARG A 72 6.217 1.198 5.620 1.00 0.00 C ATOM 1052 CD ARG A 72 7.546 0.977 6.325 1.00 0.00 C ATOM 1053 NE ARG A 72 7.374 0.353 7.634 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.326 0.310 8.559 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.512 0.852 8.319 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.093 -0.276 9.727 1.00 0.00 N ATOM 0 H ARG A 72 4.183 0.520 3.209 1.00 0.00 H new ATOM 0 HA ARG A 72 4.856 3.246 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.803 0.988 3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.171 2.554 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.600 1.877 6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.677 0.253 5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.185 0.348 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.057 1.933 6.443 1.00 0.00 H new ATOM 0 HE ARG A 72 6.473 -0.073 7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.695 1.303 7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.242 0.818 9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.182 -0.694 9.915 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.825 -0.308 10.436 1.00 0.00 H new ATOM 1070 N CYS A 73 5.566 3.999 1.891 1.00 0.00 N ATOM 1071 CA CYS A 73 5.809 4.480 0.536 1.00 0.00 C ATOM 1072 C CYS A 73 7.150 5.200 0.447 1.00 0.00 C ATOM 1073 O CYS A 73 7.308 6.306 0.963 1.00 0.00 O ATOM 1074 CB CYS A 73 4.683 5.417 0.096 1.00 0.00 C ATOM 1075 SG CYS A 73 4.931 6.153 -1.536 1.00 0.00 S ATOM 0 H CYS A 73 5.551 4.730 2.602 1.00 0.00 H new ATOM 0 HA CYS A 73 5.836 3.618 -0.130 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.744 4.863 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.581 6.215 0.831 1.00 0.00 H new ATOM 0 HG CYS A 73 6.101 6.717 -1.584 1.00 0.00 H new ATOM 1081 N ASN A 74 8.115 4.565 -0.211 1.00 0.00 N ATOM 1082 CA ASN A 74 9.444 5.144 -0.366 1.00 0.00 C ATOM 1083 C ASN A 74 10.165 5.219 0.976 1.00 0.00 C ATOM 1084 O ASN A 74 10.951 6.133 1.220 1.00 0.00 O ATOM 1085 CB ASN A 74 9.346 6.541 -0.983 1.00 0.00 C ATOM 1086 CG ASN A 74 8.512 6.556 -2.250 1.00 0.00 C ATOM 1087 OD1 ASN A 74 7.551 7.318 -2.365 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.876 5.713 -3.208 1.00 0.00 N ATOM 0 H ASN A 74 8.001 3.649 -0.645 1.00 0.00 H new ATOM 0 HA ASN A 74 10.018 4.499 -1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.910 7.227 -0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.348 6.908 -1.206 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.353 5.678 -4.083 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.679 5.100 -3.070 1.00 0.00 H new ATOM 1095 N GLY A 75 9.891 4.249 1.844 1.00 0.00 N ATOM 1096 CA GLY A 75 10.522 4.223 3.150 1.00 0.00 C ATOM 1097 C GLY A 75 9.781 5.067 4.168 1.00 0.00 C ATOM 1098 O GLY A 75 10.078 5.013 5.361 1.00 0.00 O ATOM 0 H GLY A 75 9.243 3.481 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.574 3.194 3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.547 4.582 3.062 1.00 0.00 H new ATOM 1102 N GLU A 76 8.816 5.850 3.696 1.00 0.00 N ATOM 1103 CA GLU A 76 8.034 6.711 4.575 1.00 0.00 C ATOM 1104 C GLU A 76 6.567 6.289 4.586 1.00 0.00 C ATOM 1105 O GLU A 76 5.941 6.151 3.535 1.00 0.00 O ATOM 1106 CB GLU A 76 8.152 8.171 4.133 1.00 0.00 C ATOM 1107 CG GLU A 76 9.347 8.893 4.731 1.00 0.00 C ATOM 1108 CD GLU A 76 9.863 10.006 3.840 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.147 9.735 2.655 1.00 0.00 O ATOM 1110 OE2 GLU A 76 9.981 11.150 4.328 1.00 0.00 O ATOM 0 H GLU A 76 8.557 5.906 2.711 1.00 0.00 H new ATOM 0 HA GLU A 76 8.431 6.611 5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.222 8.208 3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.241 8.701 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.068 9.308 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.148 8.175 4.910 1.00 0.00 H new ATOM 1117 N THR A 77 6.025 6.084 5.783 1.00 0.00 N ATOM 1118 CA THR A 77 4.634 5.676 5.932 1.00 0.00 C ATOM 1119 C THR A 77 3.690 6.715 5.338 1.00 0.00 C ATOM 1120 O THR A 77 3.922 7.918 5.454 1.00 0.00 O ATOM 1121 CB THR A 77 4.269 5.454 7.412 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.467 6.663 8.152 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.112 4.340 8.015 1.00 0.00 C ATOM 0 H THR A 77 6.529 6.194 6.663 1.00 0.00 H new ATOM 0 HA THR A 77 4.521 4.736 5.393 1.00 0.00 H new ATOM 0 HB THR A 77 3.220 5.164 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.231 6.514 9.091 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.837 4.201 9.061 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.937 3.414 7.467 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.167 4.606 7.950 1.00 0.00 H new ATOM 1131 N LEU A 78 2.623 6.242 4.702 1.00 0.00 N ATOM 1132 CA LEU A 78 1.642 7.131 4.090 1.00 0.00 C ATOM 1133 C LEU A 78 1.378 8.344 4.977 1.00 0.00 C ATOM 1134 O LEU A 78 1.340 9.478 4.500 1.00 0.00 O ATOM 1135 CB LEU A 78 0.334 6.380 3.831 1.00 0.00 C ATOM 1136 CG LEU A 78 0.458 5.160 2.918 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.824 4.344 2.938 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.796 5.590 1.498 1.00 0.00 C ATOM 0 H LEU A 78 2.416 5.249 4.597 1.00 0.00 H new ATOM 0 HA LEU A 78 2.048 7.480 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.078 6.059 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.384 7.072 3.391 1.00 0.00 H new ATOM 0 HG LEU A 78 1.268 4.533 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.716 3.480 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.024 4.005 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.653 4.961 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.881 4.709 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.007 6.239 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.743 6.131 1.497 1.00 0.00 H new ATOM 1150 N ARG A 79 1.197 8.096 6.270 1.00 0.00 N ATOM 1151 CA ARG A 79 0.935 9.167 7.224 1.00 0.00 C ATOM 1152 C ARG A 79 2.038 10.220 7.175 1.00 0.00 C ATOM 1153 O ARG A 79 1.767 11.420 7.225 1.00 0.00 O ATOM 1154 CB ARG A 79 0.819 8.600 8.640 1.00 0.00 C ATOM 1155 CG ARG A 79 0.429 9.636 9.681 1.00 0.00 C ATOM 1156 CD ARG A 79 0.945 9.261 11.061 1.00 0.00 C ATOM 1157 NE ARG A 79 0.027 8.370 11.765 1.00 0.00 N ATOM 1158 CZ ARG A 79 -1.166 8.747 12.212 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -1.583 9.992 12.029 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -1.944 7.878 12.844 1.00 0.00 N ATOM 0 H ARG A 79 1.227 7.163 6.681 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.008 9.640 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.080 7.799 8.642 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.773 8.154 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.828 10.609 9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.656 9.732 9.711 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.917 8.778 10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.095 10.166 11.650 1.00 0.00 H new ATOM 0 HE ARG A 79 0.318 7.405 11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.987 10.663 11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.499 10.279 12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.626 6.919 12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.860 8.169 13.187 1.00 0.00 H new ATOM 1174 N HIS A 80 3.282 9.762 7.077 1.00 0.00 N ATOM 1175 CA HIS A 80 4.427 10.665 7.021 1.00 0.00 C ATOM 1176 C HIS A 80 4.341 11.576 5.800 1.00 0.00 C ATOM 1177 O HIS A 80 4.502 12.791 5.907 1.00 0.00 O ATOM 1178 CB HIS A 80 5.731 9.868 6.986 1.00 0.00 C ATOM 1179 CG HIS A 80 6.924 10.651 7.440 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.476 10.521 8.697 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.672 11.578 6.797 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.511 11.334 8.808 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.652 11.986 7.668 1.00 0.00 N ATOM 0 H HIS A 80 3.523 8.772 7.035 1.00 0.00 H new ATOM 0 HA HIS A 80 4.413 11.285 7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.625 8.985 7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.904 9.515 5.969 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.525 11.931 5.787 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.136 11.446 9.682 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.372 12.680 7.467 1.00 0.00 H new ATOM 1192 N LEU A 81 4.086 10.980 4.640 1.00 0.00 N ATOM 1193 CA LEU A 81 3.979 11.738 3.398 1.00 0.00 C ATOM 1194 C LEU A 81 2.783 12.683 3.438 1.00 0.00 C ATOM 1195 O LEU A 81 2.867 13.826 2.991 1.00 0.00 O ATOM 1196 CB LEU A 81 3.854 10.787 2.206 1.00 0.00 C ATOM 1197 CG LEU A 81 4.968 9.748 2.087 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.659 8.757 0.975 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.306 10.428 1.839 1.00 0.00 C ATOM 0 H LEU A 81 3.950 9.975 4.534 1.00 0.00 H new ATOM 0 HA LEU A 81 4.885 12.334 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.899 10.267 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.830 11.378 1.290 1.00 0.00 H new ATOM 0 HG LEU A 81 5.029 9.200 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.464 8.025 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.721 8.246 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.570 9.289 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.088 9.673 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.257 11.002 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.533 11.097 2.669 1.00 0.00 H new ATOM 1211 N GLU A 82 1.669 12.196 3.978 1.00 0.00 N ATOM 1212 CA GLU A 82 0.455 12.997 4.075 1.00 0.00 C ATOM 1213 C GLU A 82 0.711 14.281 4.860 1.00 0.00 C ATOM 1214 O GLU A 82 0.252 15.356 4.477 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.662 12.192 4.743 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.902 13.013 5.052 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.719 12.430 6.190 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.153 11.655 6.989 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -3.922 12.749 6.281 1.00 0.00 O ATOM 0 H GLU A 82 1.583 11.252 4.354 1.00 0.00 H new ATOM 0 HA GLU A 82 0.146 13.265 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.939 11.362 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.283 11.759 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.605 14.031 5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.523 13.076 4.159 1.00 0.00 H new ATOM 1226 N GLN A 83 1.447 14.157 5.960 1.00 0.00 N ATOM 1227 CA GLN A 83 1.764 15.307 6.799 1.00 0.00 C ATOM 1228 C GLN A 83 2.474 16.390 5.994 1.00 0.00 C ATOM 1229 O GLN A 83 2.254 17.582 6.208 1.00 0.00 O ATOM 1230 CB GLN A 83 2.636 14.878 7.980 1.00 0.00 C ATOM 1231 CG GLN A 83 1.879 14.101 9.045 1.00 0.00 C ATOM 1232 CD GLN A 83 2.732 13.792 10.260 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.557 14.605 10.676 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.538 12.611 10.835 1.00 0.00 N ATOM 0 H GLN A 83 1.834 13.273 6.291 1.00 0.00 H new ATOM 0 HA GLN A 83 0.828 15.717 7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.458 14.265 7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.079 15.764 8.435 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.006 14.674 9.356 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.512 13.168 8.617 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.843 11.967 10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.084 12.347 11.655 1.00 0.00 H new ATOM 1243 N LYS A 84 3.328 15.967 5.068 1.00 0.00 N ATOM 1244 CA LYS A 84 4.072 16.900 4.230 1.00 0.00 C ATOM 1245 C LYS A 84 3.212 17.393 3.070 1.00 0.00 C ATOM 1246 O LYS A 84 3.701 18.070 2.167 1.00 0.00 O ATOM 1247 CB LYS A 84 5.340 16.235 3.692 1.00 0.00 C ATOM 1248 CG LYS A 84 6.410 16.020 4.748 1.00 0.00 C ATOM 1249 CD LYS A 84 7.340 14.877 4.377 1.00 0.00 C ATOM 1250 CE LYS A 84 8.364 15.307 3.338 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.424 14.279 3.146 1.00 0.00 N ATOM 0 H LYS A 84 3.522 14.984 4.879 1.00 0.00 H new ATOM 0 HA LYS A 84 4.351 17.757 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.077 15.273 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.751 16.850 2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.989 16.935 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.938 15.809 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.854 14.520 5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.756 14.042 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.862 15.493 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.821 16.247 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.102 14.609 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.920 14.120 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.991 13.389 2.827 1.00 0.00 H new ATOM 1265 N GLY A 85 1.928 17.048 3.102 1.00 0.00 N ATOM 1266 CA GLY A 85 1.021 17.465 2.049 1.00 0.00 C ATOM 1267 C GLY A 85 1.366 16.846 0.709 1.00 0.00 C ATOM 1268 O GLY A 85 1.143 17.453 -0.339 1.00 0.00 O ATOM 0 H GLY A 85 1.500 16.487 3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.002 17.190 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.046 18.551 1.961 1.00 0.00 H new ATOM 1272 N LEU A 86 1.911 15.635 0.741 1.00 0.00 N ATOM 1273 CA LEU A 86 2.289 14.934 -0.481 1.00 0.00 C ATOM 1274 C LEU A 86 1.230 13.907 -0.868 1.00 0.00 C ATOM 1275 O LEU A 86 0.952 13.701 -2.049 1.00 0.00 O ATOM 1276 CB LEU A 86 3.644 14.245 -0.300 1.00 0.00 C ATOM 1277 CG LEU A 86 4.749 15.131 0.273 1.00 0.00 C ATOM 1278 CD1 LEU A 86 5.920 14.286 0.748 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.208 16.146 -0.762 1.00 0.00 C ATOM 0 H LEU A 86 2.101 15.118 1.600 1.00 0.00 H new ATOM 0 HA LEU A 86 2.367 15.668 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.512 13.385 0.356 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.971 13.861 -1.266 1.00 0.00 H new ATOM 0 HG LEU A 86 4.347 15.671 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.697 14.935 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.582 13.598 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.323 13.718 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.995 16.769 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.592 15.624 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.366 16.774 -1.054 1.00 0.00 H new ATOM 1291 N LEU A 87 0.643 13.264 0.136 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.386 12.257 -0.098 1.00 0.00 C ATOM 1293 C LEU A 87 -1.772 12.812 0.215 1.00 0.00 C ATOM 1294 O LEU A 87 -2.072 13.152 1.359 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.116 11.015 0.754 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.878 9.760 0.328 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.300 9.194 -0.959 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -0.844 8.716 1.434 1.00 0.00 C ATOM 0 H LEU A 87 0.862 13.422 1.120 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.356 11.980 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.952 10.800 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.369 11.241 1.790 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.917 10.034 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.856 8.301 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.377 9.939 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.748 8.935 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.391 7.829 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.190 8.447 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.307 9.123 2.333 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.612 12.901 -0.810 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.967 13.416 -0.646 1.00 0.00 C ATOM 1312 C PHE A 88 -4.706 12.660 0.454 1.00 0.00 C ATOM 1313 O PHE A 88 -5.502 13.240 1.193 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.739 13.309 -1.962 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.348 11.954 -2.191 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.562 10.814 -2.165 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.706 11.823 -2.432 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.119 9.566 -2.375 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.268 10.578 -2.642 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.474 9.448 -2.615 1.00 0.00 C ATOM 0 H PHE A 88 -2.379 12.623 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.898 14.465 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.529 14.060 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.067 13.541 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.502 10.901 -1.979 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.332 12.703 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.495 8.685 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.328 10.489 -2.827 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.912 8.475 -2.781 1.00 0.00 H new ATOM 1330 N SER A 89 -4.437 11.363 0.556 1.00 0.00 N ATOM 1331 CA SER A 89 -5.079 10.525 1.563 1.00 0.00 C ATOM 1332 C SER A 89 -6.596 10.680 1.511 1.00 0.00 C ATOM 1333 O SER A 89 -7.253 10.816 2.542 1.00 0.00 O ATOM 1334 CB SER A 89 -4.566 10.885 2.959 1.00 0.00 C ATOM 1335 OG SER A 89 -3.209 10.507 3.116 1.00 0.00 O ATOM 0 H SER A 89 -3.779 10.869 -0.046 1.00 0.00 H new ATOM 0 HA SER A 89 -4.829 9.486 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.669 11.958 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.175 10.387 3.713 1.00 0.00 H new ATOM 0 HG SER A 89 -2.634 11.158 2.663 1.00 0.00 H new ATOM 1341 N GLY A 90 -7.145 10.659 0.300 1.00 0.00 N ATOM 1342 CA GLY A 90 -8.580 10.798 0.135 1.00 0.00 C ATOM 1343 C GLY A 90 -9.074 12.186 0.494 1.00 0.00 C ATOM 1344 O GLY A 90 -8.311 13.152 0.520 1.00 0.00 O ATOM 0 H GLY A 90 -6.622 10.548 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -8.847 10.577 -0.898 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.087 10.063 0.759 1.00 0.00 H new ATOM 1348 N PRO A 91 -10.380 12.299 0.779 1.00 0.00 N ATOM 1349 CA PRO A 91 -11.003 13.575 1.142 1.00 0.00 C ATOM 1350 C PRO A 91 -10.561 14.065 2.517 1.00 0.00 C ATOM 1351 O PRO A 91 -10.143 13.275 3.363 1.00 0.00 O ATOM 1352 CB PRO A 91 -12.499 13.250 1.146 1.00 0.00 C ATOM 1353 CG PRO A 91 -12.568 11.786 1.412 1.00 0.00 C ATOM 1354 CD PRO A 91 -11.348 11.189 0.767 1.00 0.00 C ATOM 0 HA PRO A 91 -10.728 14.374 0.453 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.025 13.817 1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.961 13.501 0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -12.581 11.584 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -13.479 11.356 0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.979 10.328 1.324 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.556 10.847 -0.247 1.00 0.00 H new ATOM 1362 N SER A 92 -10.657 15.373 2.733 1.00 0.00 N ATOM 1363 CA SER A 92 -10.264 15.969 4.004 1.00 0.00 C ATOM 1364 C SER A 92 -11.467 16.110 4.933 1.00 0.00 C ATOM 1365 O SER A 92 -12.475 16.718 4.573 1.00 0.00 O ATOM 1366 CB SER A 92 -9.620 17.337 3.773 1.00 0.00 C ATOM 1367 OG SER A 92 -9.274 17.952 5.002 1.00 0.00 O ATOM 0 H SER A 92 -11.004 16.040 2.044 1.00 0.00 H new ATOM 0 HA SER A 92 -9.537 15.309 4.477 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.729 17.223 3.156 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.309 17.978 3.223 1.00 0.00 H new ATOM 0 HG SER A 92 -8.863 18.824 4.827 1.00 0.00 H new ATOM 1373 N SER A 93 -11.352 15.544 6.130 1.00 0.00 N ATOM 1374 CA SER A 93 -12.430 15.603 7.110 1.00 0.00 C ATOM 1375 C SER A 93 -12.440 16.950 7.826 1.00 0.00 C ATOM 1376 O SER A 93 -11.403 17.595 7.974 1.00 0.00 O ATOM 1377 CB SER A 93 -12.284 14.472 8.129 1.00 0.00 C ATOM 1378 OG SER A 93 -11.058 14.575 8.833 1.00 0.00 O ATOM 0 H SER A 93 -10.523 15.039 6.444 1.00 0.00 H new ATOM 0 HA SER A 93 -13.376 15.485 6.581 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.115 14.503 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.334 13.510 7.619 1.00 0.00 H new ATOM 0 HG SER A 93 -10.989 13.842 9.479 1.00 0.00 H new ATOM 1384 N GLY A 94 -13.622 17.369 8.270 1.00 0.00 N ATOM 1385 CA GLY A 94 -13.746 18.637 8.965 1.00 0.00 C ATOM 1386 C GLY A 94 -13.475 19.823 8.061 1.00 0.00 C ATOM 1387 O GLY A 94 -13.026 19.658 6.927 1.00 0.00 O ATOM 0 H GLY A 94 -14.495 16.853 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.750 18.723 9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.051 18.657 9.804 1.00 0.00 H new TER 1391 GLY A 94